LC-MS/MS软件系统设计及定量分析研究

Design of LC-MS/MS Software System and Quantitative Analysis

介绍了国内面向临床检验的HTQ2020液相色谱-三重四极杆质谱联用仪软件系统,说明了其软件架构、设计原理和用户界面实现方法。该软件系统采用一种四层软件架构,将硬件控制等操作与数据处理相隔离,实现软硬件解耦,便于扩展其他高级应用。该软件系统基于Modbus协议实现了对仪器的精准控制、自动调谐和状态监测;包含了丰富的数据处理及其可视化操作,可以方便用户对数据进行基本处理以及精准定量分析;通过与医院LIS系统的连接,可以快速进行批量采集,减轻医生的工作量。通过维生素D检测实验,证明了HTQ2020软件系统能够满足目前临床检验要求。

The software system of liquid chromatography-triple quadrupole mass spectrometer(model: HTQ2020) for clinical laboratory is based on the Windows operating system, C# programming realization, and its interface is implemented by Microsoft’s latest generation graphics system WPF(Windows Presentation Foundation). Its main functions include instrument tuning control, instrument condition monitoring, data processing and visualization, quantitative analysis, method establishment, batch data acquisition, and clinical application modules. The software system is implemented with a four-layer software architecture, namely, the instrument control and data acquisition equipment layer, the application development platform layer, the application integration layer, and the application program layer. It isolates hardware control and other operations from data processing to achieve software and hardware decoupling. To facilitate future expansion of other advanced applications, this software system implements precise control, automatic tuning, and condition monitoring of the instrument based on the Modbus protocol. It includes data processing and visualization operations, such as total ion chromatogram, extracted ion chromatogram, mass spectrum, spectral filtering, peak identification, characteristic peak normalization, etc. It is convenient for users to perform basic processing and accurate quantitative analysis of data. It can be quickly collected in batches by connecting with the hospital LIS system, downloading the samples to be tested from the LIS system, and uploading the report to the LIS after the system is tested. The results were released, which greatly reduced the workload of clinical practitioner. Finally, it was proved that the HTQ2020 software system can meet the current clinical requirements by carrying out a test to detect Vitamin D in human serum. After several improvements, the HTQ2020 software system is now fully functional and stable, providing strong support for the commercialization of the HTQ2020 liquid chromatography-triple quadrupole mass spectrometer and its application in clinical laboratory.